#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5r n GLU 6 N 0.00 -0.28 -1.64 -1.08 4.71 -1.26 -4.95 120.64 116.14 1k5r n GLU 6 Ca 0.00 -0.27 -0.43 0.00 -0.01 0.00 0.00 57.16 56.45 1k5r n GLU 6 Cb 0.00 -0.18 -0.01 0.00 -1.01 0.00 0.00 31.44 30.24 1k5r n GLU 6 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1k5r n ILE 7 N -2.30 2.05 0.00 -3.67 -5.35 -1.26 -4.91 119.36 103.92 1k5r n ILE 7 Ca 0.02 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1k5r n ILE 7 Cb 0.08 -1.29 0.00 0.00 -1.74 0.00 0.00 39.64 36.68 1k5r n ILE 7 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1k5r n PRO 8 N 0.58 0.00 0.00 6.28 -0.04 -1.26 -4.47 135.00 136.09 1k5r n PRO 8 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1k5r n PRO 8 Cb 0.35 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 1k5r n PRO 8 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1k5r n ASP 9 N 0.00 0.00 0.00 3.54 2.03 -1.26 -3.05 116.55 117.81 1k5r n ASP 9 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1k5r n ASP 9 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1k5r n ASP 9 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1k5r n ASP 10 N 1.06 0.00 -4.08 1.67 9.92 -1.26 -5.07 116.55 118.80 1k5r n ASP 10 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 1k5r n ASP 10 Cb 0.00 0.05 -0.10 0.00 -0.64 0.00 0.00 41.12 40.43 1k5r n ASP 10 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1k5r s VAL 11 N -1.10 0.17 -0.00 2.53 -7.23 -1.17 -5.01 120.40 108.58 1k5r s VAL 11 Ca 0.00 -1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 58.12 1k5r s VAL 11 Cb 0.00 -1.68 -0.05 0.00 0.56 0.00 0.00 36.38 35.22 1k5r s VAL 11 CO 0.00 -0.76 1.26 -2.16 -0.31 0.00 0.00 175.10 173.13 1k5r s PRO 12 N -3.96 4.35 0.41 4.82 0.04 -1.26 -4.70 135.00 134.70 1k5r s PRO 12 Ca 0.13 1.79 -0.25 0.00 0.04 0.00 0.00 61.00 62.71 1k5r s PRO 12 Cb 0.07 -3.49 -0.11 0.00 0.04 0.00 0.00 34.50 31.01 1k5r s PRO 12 CO -0.06 -0.43 1.04 -0.11 0.04 0.00 0.00 177.00 177.49 1k5r n LEU 13 N 4.85 2.73 -4.76 -3.56 0.00 -1.26 -4.88 117.00 110.12 1k5r n LEU 13 Ca 0.11 1.06 -0.41 0.00 0.00 0.00 0.00 56.01 56.77 1k5r n LEU 13 Cb 0.45 -1.37 -0.02 0.00 0.00 0.00 0.00 43.42 42.48 1k5r n LEU 13 CO 0.56 -1.37 1.01 -2.16 0.00 0.00 0.00 177.39 175.43 1k5r s PRO 14 N -2.00 4.35 -0.02 1.96 0.04 -1.26 -4.98 135.00 133.09 1k5r s PRO 14 Ca 0.62 2.19 -0.23 0.00 0.04 0.00 0.00 61.00 63.63 1k5r s PRO 14 Cb -0.56 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 30.82 1k5r s PRO 14 CO 0.57 -0.25 0.68 0.00 0.04 0.00 0.00 177.00 178.04 1k5r s ALA 15 N -0.58 3.39 0.00 8.56 0.00 -1.26 -3.79 121.76 128.08 1k5r s ALA 15 Ca 0.53 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1k5r s ALA 15 Cb -0.39 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1k5r s ALA 15 CO 0.47 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.66 1k5r n GLY 16 N 2.73 0.74 3.56 0.00 0.00 -1.26 -5.06 105.19 105.89 1k5r n GLY 16 Ca -0.03 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 1k5r n GLY 16 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k5r s TRP 17 N -2.00 2.87 -0.71 1.61 0.52 -1.25 -4.32 118.94 115.67 1k5r s TRP 17 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 56.10 56.09 1k5r s TRP 17 Cb 0.00 -1.67 0.38 0.00 -1.15 0.00 0.00 33.47 31.03 1k5r s TRP 17 CO 0.00 0.30 1.76 -0.85 0.02 0.00 0.00 176.95 178.18 1k5r n GLU 18 N 2.12 2.95 -1.43 4.98 0.00 -1.21 -4.96 120.64 123.10 1k5r n GLU 18 Ca -0.17 -3.78 -0.47 0.00 0.00 0.00 0.00 57.16 52.74 1k5r n GLU 18 Cb 0.53 -2.27 -0.02 0.00 0.00 0.00 0.00 31.44 29.68 1k5r n GLU 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1k5r n MET 19 N -0.57 0.26 0.00 3.44 0.00 -1.26 -4.54 117.12 114.46 1k5r n MET 19 Ca 0.51 0.09 0.00 0.00 0.00 0.00 0.00 57.70 58.30 1k5r n MET 19 Cb 0.41 -1.17 0.00 0.00 0.00 0.00 0.00 33.22 32.46 1k5r n MET 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1k5r n ALA 20 N -0.05 0.00 -3.38 3.17 0.00 -0.80 -4.88 120.51 114.57 1k5r n ALA 20 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.42 1k5r n ALA 20 Cb 0.28 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.57 1k5r n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1k5r s LYS 21 N 3.23 0.55 1.27 0.00 3.01 -1.26 -1.66 119.74 124.89 1k5r s LYS 21 Ca 0.00 -0.08 -0.17 0.00 -1.01 0.00 0.00 55.97 54.70 1k5r s LYS 21 Cb 0.00 -0.60 0.30 0.00 -1.01 0.00 0.00 37.83 36.52 1k5r s LYS 21 CO 0.00 -0.03 0.80 0.25 0.51 0.00 0.00 175.35 176.88 1k5r n THR 22 N 3.72 0.00 0.39 2.17 -2.24 -0.94 -4.99 114.28 112.39 1k5r n THR 22 Ca -0.22 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1k5r n THR 22 Cb 0.53 -0.92 0.01 0.00 -2.10 0.00 0.00 70.33 67.85 1k5r n THR 22 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1k5r n SER 23 N -4.67 0.00 -3.99 3.42 2.88 -1.26 -4.77 113.62 105.24 1k5r n SER 23 Ca 0.06 -0.39 -0.31 0.00 -1.33 0.00 0.00 58.87 56.91 1k5r n SER 23 Cb 0.56 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.87 1k5r n SER 23 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1k5r s GLY 25 N -1.81 2.14 -0.17 0.46 0.00 -1.26 -5.24 107.32 101.43 1k5r s GLY 25 Ca 0.00 -2.83 -0.33 0.00 0.00 0.00 0.00 44.72 41.56 1k5r s GLY 25 CO 0.00 0.98 1.16 1.62 0.00 0.00 0.00 173.10 176.86 1k5r s GLN 26 N 0.41 0.38 0.26 2.90 2.00 -1.26 -5.17 119.66 119.18 1k5r s GLN 26 Ca 0.13 -0.09 0.08 0.00 -2.00 0.00 0.00 55.36 53.49 1k5r s GLN 26 Cb -0.22 0.17 -0.04 0.00 0.80 0.00 0.00 33.01 33.73 1k5r s GLN 26 CO -0.05 -0.16 0.08 1.03 -0.50 0.00 0.00 175.29 175.70 1k5r s ARG 27 N -2.18 2.57 0.07 1.67 3.00 -1.26 -2.21 118.95 120.61 1k5r s ARG 27 Ca 0.07 -1.26 -0.13 0.00 0.00 0.00 0.00 55.73 54.41 1k5r s ARG 27 Cb -0.01 -2.33 0.02 0.00 0.00 0.00 0.00 34.95 32.62 1k5r s ARG 27 CO -0.05 0.38 0.29 1.52 0.00 0.00 0.00 175.30 177.45 1k5r s TYR 28 N -2.24 -0.06 -1.00 -0.53 1.13 -0.66 -4.95 117.35 109.03 1k5r s TYR 28 Ca 0.32 -0.19 -0.16 0.00 -1.41 0.00 0.00 57.07 55.64 1k5r s TYR 28 Cb -0.07 0.09 0.17 0.00 -1.10 0.00 0.00 41.96 41.05 1k5r s TYR 28 CO 0.22 -0.55 1.14 -0.06 -2.51 0.00 0.00 175.55 173.79 1k5r s PHE 29 N -3.14 3.44 -0.27 -3.49 0.40 -1.26 -1.90 117.98 111.77 1k5r s PHE 29 Ca -0.01 -1.81 -0.32 0.00 -0.60 0.00 0.00 56.93 54.19 1k5r s PHE 29 Cb 0.01 -4.17 -0.08 0.00 0.51 0.00 0.00 43.02 39.29 1k5r s PHE 29 CO -0.07 -1.33 2.18 -0.11 0.70 0.00 0.00 175.22 176.60 1k5r n LEU 30 N 5.49 2.77 -2.14 -0.37 0.00 -1.26 -3.13 117.00 118.36 1k5r n LEU 30 Ca 0.25 0.35 -0.16 0.00 0.00 0.00 0.00 56.01 56.45 1k5r n LEU 30 Cb 0.46 -1.41 -0.14 0.00 0.00 0.00 0.00 43.42 42.33 1k5r n LEU 30 CO 0.50 -0.66 1.61 -3.20 0.00 0.00 0.00 177.39 175.64 1k5r n ASN 31 N 10.50 5.61 0.10 1.96 2.85 -0.43 -3.36 115.26 132.49 1k5r n ASN 31 Ca 0.34 -2.70 0.09 0.00 -0.11 0.00 0.00 54.58 52.21 1k5r n ASN 31 Cb 0.34 -1.36 0.56 0.00 1.24 0.00 0.00 39.78 40.55 1k5r n ASN 31 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 1k5r h HIS 32 N 2.99 0.22 -0.57 1.20 -0.00 -1.82 1.25 115.15 118.42 1k5r h HIS 32 Ca 0.25 0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.74 1k5r h HIS 32 Cb 1.28 -0.07 -0.11 0.00 -0.00 0.00 0.00 27.41 28.50 1k5r h HIS 32 CO 1.68 0.13 -0.24 0.97 -0.00 0.00 0.00 177.93 180.47 1k5r h ILE 33 N 0.23 0.28 -0.07 6.26 2.10 -1.80 -3.35 117.51 121.16 1k5r h ILE 33 Ca 0.12 0.00 -0.17 0.00 1.08 0.00 0.00 64.86 65.89 1k5r h ILE 33 Cb 0.19 0.28 -0.22 0.00 -1.09 0.00 0.00 36.82 35.98 1k5r h ILE 33 CO -0.02 0.00 -0.53 -0.67 -1.08 0.00 0.00 178.15 175.85 1k5r n ASP 34 N -5.43 -0.46 0.00 2.19 2.03 -1.02 -5.13 116.55 108.73 1k5r n ASP 34 Ca 0.05 -2.09 0.00 0.00 0.52 0.00 0.00 54.79 53.28 1k5r n ASP 34 Cb 0.34 0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1k5r n ASP 34 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1k5r n GLN 35 N -0.61 0.00 -1.57 -0.67 7.27 0.43 -5.09 117.38 117.14 1k5r n GLN 35 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.93 1k5r n GLN 35 Cb 0.85 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.50 1k5r n GLN 35 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1k5r n THR 36 N 0.00 0.00 -1.69 1.69 -2.24 -1.20 -3.50 114.28 107.33 1k5r n THR 36 Ca 0.00 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.34 1k5r n THR 36 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1k5r n THR 36 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k5r n THR 37 N 0.00 0.15 -0.08 4.28 -2.24 -1.26 -1.31 114.28 113.82 1k5r n THR 37 Ca 0.00 -0.04 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1k5r n THR 37 Cb 0.00 -1.74 -0.08 0.00 -2.10 0.00 0.00 70.33 66.42 1k5r n THR 37 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1k5r h THR 38 N 3.62 0.84 -2.62 4.28 1.35 -1.92 -3.46 112.91 115.00 1k5r h THR 38 Ca -0.44 -1.77 -0.30 0.00 -0.55 0.00 0.00 66.41 63.35 1k5r h THR 38 Cb 1.23 1.72 -0.06 0.00 -1.73 0.00 0.00 68.15 69.31 1k5r h THR 38 CO 0.90 0.28 -0.33 1.87 -0.25 0.00 0.00 175.52 177.99 1k5r n TRP 39 N -4.60 -0.87 0.00 4.73 -0.00 -1.26 -4.34 117.44 111.09 1k5r n TRP 39 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.36 1k5r n TRP 39 Cb 0.39 -2.95 0.00 0.00 -0.00 0.00 0.00 31.31 28.75 1k5r n TRP 39 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 1k5r n GLN 40 N -2.49 0.00 0.22 5.87 7.27 -1.26 -5.01 117.38 121.98 1k5r n GLN 40 Ca -0.16 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.82 1k5r n GLN 40 Cb 0.57 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.18 1k5r n GLN 40 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1k5r h ASP 41 N 0.00 -0.52 -0.49 1.69 3.32 -1.98 -3.44 116.42 115.00 1k5r h ASP 41 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1k5r h ASP 41 Cb 0.00 0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1k5r h ASP 41 CO 0.00 -0.35 0.00 -0.81 -1.72 0.00 0.00 179.24 176.36 1k5r n PRO 42 N -3.61 0.59 -3.05 3.56 -0.04 -1.26 -5.04 135.00 126.14 1k5r n PRO 42 Ca -0.07 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1k5r n PRO 42 Cb 0.23 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.69 1k5r n PRO 42 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1k5r s ARG 43 N -0.84 0.79 0.00 0.54 6.06 -1.26 -4.97 118.95 119.28 1k5r s ARG 43 Ca 0.00 -0.41 0.00 0.00 -2.50 0.00 0.00 55.73 52.82 1k5r s ARG 43 Cb 0.00 0.06 0.00 0.00 0.06 0.00 0.00 34.95 35.07 1k5r s ARG 43 CO 0.00 -1.10 0.00 1.17 -2.50 0.00 0.00 175.30 172.87